2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol

C14H12ClF2NO — CID 60900596

IUPAC2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol
SMILESOC(CNc1cccc(Cl)c1F)c1cccc(F)c1
InChIInChI=1S/C14H12ClF2NO/c15-11-5-2-6-12(14(11)17)18-8-13(19)9-3-1-4-10(16)7-9/h1-7,13,18-19H,8H2
InChIKeyBFODTTQFUUPSBV-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.76
Rot. Bonds4

About 2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol

2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol (PubChem CID 60900596) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol
PubChem CID60900596
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol
SMILESOC(CNc1cccc(Cl)c1F)c1cccc(F)c1
InChIInChI=1S/C14H12ClF2NO/c15-11-5-2-6-12(14(11)17)18-8-13(19)9-3-1-4-10(16)7-9/h1-7,13,18-19H,8H2
InChIKeyBFODTTQFUUPSBV-UHFFFAOYSA-N
XLogP3.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol
CID 107606605
2-(2-bromoanilino)-1-(3-fluorophenyl)ethanol
CID 60897612
1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol
CID 60900233
1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644735
2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901542
2-(2-bromo-5-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 107635978
2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 83081976
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
(2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol
CID 61143077
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279
2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60900960
2-(2-chloroanilino)-1-(3-methylphenyl)ethanol
CID 82044958

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol?
The IUPAC name of 2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol (CID 60900596) is 2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol is OC(CNc1cccc(Cl)c1F)c1cccc(F)c1.
What is the InChIKey of 2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol?
The InChIKey is BFODTTQFUUPSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c15-11-5-2-6-12(14(11)17)18-8-13(19)9-3-1-4-10(16)7-9/h1-7,13,18-19H,8H2.
What are the key properties of 2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol?
2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol has a molecular weight of 283.71 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 60900596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).